Potassium trifluoromethanesulfonimide - ≥97% , CAS No.90076-67-8

CAS: 90076-67-8 Cat. No.: P282338 Molecular Weight: 319.25 EC Number: 804-368-0 PubChem CID: 11099217

GRADE & PURITY ≥97%

Synonyms

E75923 | POTASSIUMBIS(TRIFLUOROMETHANESULFONYL)IMIDE | SCHEMBL878391 | Potassium bis(trifluoromethylsulfonyl)imide | Potassium trifluoromethanesulfonimide | B2543 | potassium bis(trifluoromethylsulfonyl)amide | potassium bis[(trifluoromethyl)sulfonyl]imid

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Potassium bis(trifluoromethylsulfonyl)imide is used as Flavor & Fragrance intermediates. It is used as an intermediate in Industries such as agrochemical, dyestuff, pharmaceutical, syntheses material, chemical.

Specifications

Synonyms

E75923 | POTASSIUMBIS(TRIFLUOROMETHANESULFONYL)IMIDE | SCHEMBL878391 | Potassium bis(trifluoromethylsulfonyl)imide | Potassium trifluoromethanesulfonimide | B2543 | potassium bis(trifluoromethylsulfonyl)amide | potassium bis[(trifluoromethyl)sulfonyl]imid

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504766000
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766000
• Canonical Smiles: C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[K+]
• IUPAC Name: potassium;bis(trifluoromethylsulfonyl)azanide
• InChIKey: KVFIZLDWRFTUEM-UHFFFAOYSA-N
• INCHI: 1S/C2F6NO4S2.K/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1
• Isomeric SMILES: C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[K+]
• PubChem CID: 11099217
• Molecular Weight: 319.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids and derivatives
• Alternative Parents: Sulfonyls Trihalomethanes Organic metal halides Organofluorides Organic potassium salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Organic metal halide - Organic alkali metal salt - Alkyl fluoride - Alkyl halide - Halomethane - Hydrocarbon derivative - Organic oxide - Organic potassium salt - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organofluoride - Organohalogen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl, aryl; X=any heteroatom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: hygroscopic
• Melt Point(°C): 200 °C
• Molecular Weight: 319.250 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 318.881 Da
• Monoisotopic Mass: 318.881 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 379.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Gong Cheng, Zhang Cong, Zhuang Qixin, Li Haiyun, Yang Hua, Chen Jiangzhao, Zang Zhigang.  (2022)  Stabilizing Buried Interface via Synergistic Effect of Fluorine and Sulfonyl Functional Groups Toward Efficient and Stable Perovskite Solar Cells.  Nano-Micro Letters,  15  (1): (1-14).  [PMID:36580128] [10.1007/s40820-022-00992-5]